2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl-methyl-amino]benzoic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl-methyl-amino]benzoic acid Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-methyl-amino]benzoic acid CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-methylamino]benzoic acid IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-methylamino]benzoic acid Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]-methyl-amino]benzoic acid Formula: C17H14N2O3S2 MolecularWeight: 358.43466

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)O)C(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)O)C(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H14N2O3S2/c1-19(13-8-4-2-6-11(13)16(21)22)15(20)10-23-17-18-12-7-3-5-9-14(12)24-17/h2-9H,10H2,1H3,(H,21,22)